2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine

C12H22N2OS — CID 65143934

IUPAC2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine
SMILES[H]/N=C(\CSC1CCCCC1)N1CCOCC1
InChIInChI=1S/C12H22N2OS/c13-12(14-6-8-15-9-7-14)10-16-11-4-2-1-3-5-11/h11,13H,1-10H2/b13-12+
InChIKeyLLPOMAFRBDTGNZ-OUKQBFOZSA-N
MW242.39 g/mol
LogP2.36
Rot. Bonds3

About 2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine

2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine (PubChem CID 65143934) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine
PubChem CID65143934
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine
SMILES[H]/N=C(\CSC1CCCCC1)N1CCOCC1
InChIInChI=1S/C12H22N2OS/c13-12(14-6-8-15-9-7-14)10-16-11-4-2-1-3-5-11/h11,13H,1-10H2/b13-12+
InChIKeyLLPOMAFRBDTGNZ-OUKQBFOZSA-N
XLogP2.36
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine?
The IUPAC name of 2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine (CID 65143934) is 2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine is [H]/N=C(\CSC1CCCCC1)N1CCOCC1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine?
The InChIKey is LLPOMAFRBDTGNZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H22N2OS/c13-12(14-6-8-15-9-7-14)10-16-11-4-2-1-3-5-11/h11,13H,1-10H2/b13-12+.
What are the key properties of 2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine?
2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine has a molecular weight of 242.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-morpholin-4-ylethanimine is sourced from PubChem (CID 65143934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).